(Z)-14-amino-2-fluorotetradec-2-enoic acid;hydrochloride

C14H27ClFNO2 — CID 25028656

IUPAC(Z)-14-amino-2-fluorotetradec-2-enoic acid;hydrochloride
SMILESCl.NCCCCCCCCCCC/C=C(\F)C(=O)O
InChIInChI=1S/C14H26FNO2.ClH/c15-13(14(17)18)11-9-7-5-3-1-2-4-6-8-10-12-16;/h11H,1-10,12,16H2,(H,17,18);1H/b13-11-;
InChIKeyQXIXYOABPSJRSR-KEHAOADBSA-N
MW295.83 g/mol
LogP4.21
Rot. Bonds12

About (Z)-14-amino-2-fluorotetradec-2-enoic acid;hydrochloride

(Z)-14-amino-2-fluorotetradec-2-enoic acid;hydrochloride (PubChem CID 25028656) has the molecular formula C14H27ClFNO2 and a molecular weight of 295.83 g/mol. Its IUPAC name is (Z)-14-amino-2-fluorotetradec-2-enoic acid;hydrochloride.

Molecular Properties

Compound Name(Z)-14-amino-2-fluorotetradec-2-enoic acid;hydrochloride
PubChem CID25028656
Molecular FormulaC14H27ClFNO2
Molecular Weight295.83 g/mol
Exact Mass295.17
IUPAC Name(Z)-14-amino-2-fluorotetradec-2-enoic acid;hydrochloride
SMILESCl.NCCCCCCCCCCC/C=C(\F)C(=O)O
InChIInChI=1S/C14H26FNO2.ClH/c15-13(14(17)18)11-9-7-5-3-1-2-4-6-8-10-12-16;/h11H,1-10,12,16H2,(H,17,18);1H/b13-11-;
InChIKeyQXIXYOABPSJRSR-KEHAOADBSA-N
XLogP4.21
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.83
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 25028652
[(E)-5-carboxy-5-fluoropent-4-enyl]azanium
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8-amino-2-methyloct-2-enoic acid
CID 90963841
(14Z)-2-fluorononadeca-2,14-dienoic acid
CID 175559432
(Z)-2-fluorohept-2-enoic acid
CID 14691011
(E)-14-aminotetradec-2-enoic acid;hydrochloride
CID 25028644
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CID 173334193
(Z)-16-aminohexadec-9-enoic acid
CID 87215029
(Z)-16-aminohexadec-11-enoic acid
CID 89054374
12-aminododecanoic acid;hydrochloride
CID 12651573
(Z)-4-bromo-2-fluorobut-2-enoic acid
CID 19866003
15-ethylheptadec-14-en-1-amine
CID 171060797

Frequently Asked Questions

What is the IUPAC name of (Z)-14-amino-2-fluorotetradec-2-enoic acid;hydrochloride?
The IUPAC name of (Z)-14-amino-2-fluorotetradec-2-enoic acid;hydrochloride (CID 25028656) is (Z)-14-amino-2-fluorotetradec-2-enoic acid;hydrochloride.
What is the SMILES notation for (Z)-14-amino-2-fluorotetradec-2-enoic acid;hydrochloride?
The canonical SMILES for (Z)-14-amino-2-fluorotetradec-2-enoic acid;hydrochloride is Cl.NCCCCCCCCCCC/C=C(\F)C(=O)O.
What is the InChIKey of (Z)-14-amino-2-fluorotetradec-2-enoic acid;hydrochloride?
The InChIKey is QXIXYOABPSJRSR-KEHAOADBSA-N. The full InChI is InChI=1S/C14H26FNO2.ClH/c15-13(14(17)18)11-9-7-5-3-1-2-4-6-8-10-12-16;/h11H,1-10,12,16H2,(H,17,18);1H/b13-11-;.
What are the key properties of (Z)-14-amino-2-fluorotetradec-2-enoic acid;hydrochloride?
(Z)-14-amino-2-fluorotetradec-2-enoic acid;hydrochloride has a molecular weight of 295.83 g/mol, XLogP of 4.21, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-14-amino-2-fluorotetradec-2-enoic acid;hydrochloride is sourced from PubChem (CID 25028656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).